trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol

C13H14ClN3O — CID 167292889

IUPACtrans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol
SMILESO[C@@H]1CC[C@@H](Nc2nnc(Cl)c3ccccc23)C1
InChIInChI=1S/C13H14ClN3O/c14-12-10-3-1-2-4-11(10)13(17-16-12)15-8-5-6-9(18)7-8/h1-4,8-9,18H,5-7H2,(H,15,17)/t8-,9-/m1/s1
InChIKeyCDOFMSDEPNPLPI-RKDXNWHRSA-N
MW263.73 g/mol
LogP2.61
Rot. Bonds2

About trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol

trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol (PubChem CID 167292889) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol
PubChem CID167292889
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Nametrans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol
SMILESO[C@@H]1CC[C@@H](Nc2nnc(Cl)c3ccccc23)C1
InChIInChI=1S/C13H14ClN3O/c14-12-10-3-1-2-4-11(10)13(17-16-12)15-8-5-6-9(18)7-8/h1-4,8-9,18H,5-7H2,(H,15,17)/t8-,9-/m1/s1
InChIKeyCDOFMSDEPNPLPI-RKDXNWHRSA-N
XLogP2.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614
3-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]cyclobutan-1-ol
CID 169230291
ethyl (1S,5S)-3-[(4-chlorophthalazin-1-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58188852
2-[(4-chlorophthalazin-1-yl)amino]-N-cyclopropylacetamide
CID 62141548
tert-butyl (3S)-3-[(4-chlorophthalazin-1-yl)amino]pyrrolidine-1-carboxylate
CID 169259251
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
CID 103704104
4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine
CID 62141541
N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
CID 103704778
4-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)phthalazin-1-amine
CID 62843915
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
2-(4-chlorophthalazin-1-yl)-1,1-dimethylhydrazine
CID 115280256

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol (CID 167292889) is trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol is O[C@@H]1CC[C@@H](Nc2nnc(Cl)c3ccccc23)C1.
What is the InChIKey of trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol?
The InChIKey is CDOFMSDEPNPLPI-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-10-3-1-2-4-11(10)13(17-16-12)15-8-5-6-9(18)7-8/h1-4,8-9,18H,5-7H2,(H,15,17)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol?
trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol has a molecular weight of 263.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 167292889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).